Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.41 |
| ▸ | GBA1 | P04062 | 4/20 | 0.40 |
| ▸ | GLB1 | P16278 | 4/20 | 0.39 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.39 |
| ▸ | GUSB | P08236 | 1/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.37 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9187514 | 1.00 | CXCR4 (0.44) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL3129740 | 0.98 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL9751519 | 0.98 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL28114318 | 0.98 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL10797222 | 0.98 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL17344117 | 0.98 | CXCR4 (0.45) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL15155327 | 0.98 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL11648543 | 0.98 | S1PR1 (0.42) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL21010237 | 0.96 | CXCR4 (0.42) | CXCR4S1PR1S1PR3GBA1GLB1 | |
| SCHEMBL1638947 | 0.96 | CXCR4 (0.42) | CXCR4S1PR1S1PR3GBA1GLB1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6084093-A | SUBSTITUTED 1,4,7,10,13-PENTAAZACYCLOPENTADECANE MACROCYCLIC LIGANDS; MANGANESE COMPLEXES OF THE LIGAND ARE MIMICS OF SUPEROXIDE DISMUTASE; USEFUL AS THERAPEUTIC AGENTS FOR INFLAMMATORY DISEASES | G. D. SEARLE & CO. (US) | 2000-07-04 | — | — | US | disclosed |
| US-5874421-A | Manganese complexes of nitrogen-containing macrocyclic ligands effective as catalysts for dismutating superoxide | G. D. SEARLE & CO. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0598753-B1 | MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO CO (US) | 1998-03-18 | — | — | EP | disclosed |
| US-5637578-A | AGENTS FOR INFLAMMATION, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHEROSCLEROSIS, AND HYPERTENSION | MONSANTO COMPANY | 1997-06-10 | — | — | US | disclosed |
| US-5610293-A | TREATMENT OF INFLAMMATORY DISEASES, ISCHEMIC/REPERFUSION INJURY, STROKE, ATHERSCLEROSIS, HYPERTENSION | MONSANTO COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0598753-A1 | MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1994-06-01 | — | — | EP | disclosed |
| WO-1993002090-A1 | MANGANESE COMPLEXES OF NITROGEN-CONTAINING MACROCYCLIC LIGANDS EFFECTIVE AS CATALYSTS FOR DISMUTATING SUPEROXIDE | MONSANTO COMPANY (US) | 1993-02-04 | — | — | WO | disclosed |
| EP-0524161-A1 | Manganese complexes of nitrogen containing macrocyclic ligands effective as catalysts for dismutating superoxide | MONSANTO COMPANY (US) | 1993-01-20 | — | — | EP | disclosed |